CC(=O)C1=CC(=CC=C1)Br
CAS: 2142-63-4
Name: 1-(3-bromophenyl)ethanone
SMILES: CC(=O)C1=CC(=CC=C1)Br

Molecular Processing

Molecular formula
C8H7BrO
Molecular weight
199.05
Exact mass
197.968
XLogP
2.65
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.15

Supplementary Information

InChIKey: JYAQYXOVOHJRCS-UHFFFAOYSA-N
Synonyms
3'-Bromoacetophenonem-BromoacetophenoneEthanone, 1-(3-bromophenyl)-3-BROMOACETOPHENONENSC 46620DTXSID40870941EINECS 218-396-0RefChem:90331DTXCID70818619218-396-0JYAQYXOVOHJRCS-UHFFFAOYSA-N2142-63-41-(3-Bromophenyl)ethanone1-(3-bromophenyl)ethan-1-one1-Acetyl-3-bromobenzeneAcetophenone, 3'-bromo-MFCD000000831-(3-Bromo-phenyl)-ethanone3 inverted exclamation mark -BromoacetophenoneNSC-466203-bromo acetophenoneNSC466203`-BromoacetophenoneTepotinib impurity 31acetophenone, m-bromo-(3-bromophenyl)ethanone3a(2)-BromoacetophenoneSCHEMBL3169H4GKS4UK721-(3-bromophenyl)-ethanone
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